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Basic Information
CAS No.: 81-45-8
Name: N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide
Article Data: 7
Molecular Structure:
Molecular Structure of 81-45-8 (N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide)
Formula: C21H12 Cl N O3
Molecular Weight: 361.784
Synonyms: Anthraquinone,1-benzamido-4-chloro- (6CI,7CI); Benzamide, N-(4-chloro-1-anthraquinonyl)- (8CI);1-(Benzoylamino)-4-chloroanthraquinone; 1-Benzamido-4-chloroanthraquinone;1-Chloro-4-benzamidoanthraquinone; 1-Chloro-4-benzoylaminoanthraquinone;4-Benzamido-1-chloroanthraquinone; Chlorobenzone;N-(4-Chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)benzamide; NSC 39954
Density: 1.447g/cm3
Boiling Point: 506.2°C at 760 mmHg
Flash Point: 260°C
Safety: Moderately toxic by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
PSA: 63.24000
LogP: 4.44070
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Chemistry

IUPAC Name: N-(4-chloro-9,10-dioxoanthracen-1-yl)benzamide 
Empirical Formula: C21H12ClNO3
Molecular Weight: 361.7779g/mol
SMILES: O=C2c1ccccc1C(=O)c3c2c(ccc3Cl)NC(=O)c4ccccc4
InChI: InChI=1/C21H12ClNO3/c22-15-10-11-16(23-21(26)12-6-2-1-3-7-12)18-17(15)19(24)13-8-4-5-9-14(13)20(18)25/h1-11H,(H,23,26)
InChIKey: FNCVZYRPXOZNSM-UHFFFAOYAO 
Index of Refraction: 1.714
Molar Refractivity: 98.13 cm3
Molar Volume: 249.8 cm3
Polarizability: 38.9×10-24cm3
Surface Tension: 67.9 dyne/cm
Density: 1.447 g/cm3
Flash Point: 260 °C
Enthalpy of Vaporization: 77.61 kJ/mol
Boiling Point: 506.2 °C at 760 mmHg
Vapour Pressure: 2.26E-10 mmHg at 25°C
Structure of Chlorobenzone (CAS NO.81-45-8):

Toxicity Data With Reference

1.    

ipr-rat LD50:2000 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 21 (12)(1977),27.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Cl− and NOx.

Specification

  Chlorobenzone , its cas register number is 81-45-8. It also can be called N-(4-chloro-9,10-dioxoanthracen-1-yl)benzamide and Benzamide,N-(4-chloro-1-anthraquinonyl)- .When heated to decomposition it emits very toxic fumes of Cl− and NOx. Chlorobenzone (CAS NO.81-45-8) ia a toxic substances.